2-(3H-benzimidazol-5-yl)-5-(2-phenylethyl)-1,3-thiazole

C18H15N3S — CID 53379087

IUPAC2-(3H-benzimidazol-5-yl)-5-(2-phenylethyl)-1,3-thiazole
SMILESc1ccc(CCc2cnc(-c3ccc4nc[nH]c4c3)s2)cc1
InChIInChI=1S/C18H15N3S/c1-2-4-13(5-3-1)6-8-15-11-19-18(22-15)14-7-9-16-17(10-14)21-12-20-16/h1-5,7,9-12H,6,8H2,(H,20,21)
InChIKeyPTNJOPIMXYSYOQ-UHFFFAOYSA-N
MW305.41 g/mol
LogP4.47
Rot. Bonds4

About 2-(3H-benzimidazol-5-yl)-5-(2-phenylethyl)-1,3-thiazole

2-(3H-benzimidazol-5-yl)-5-(2-phenylethyl)-1,3-thiazole (PubChem CID 53379087) has the molecular formula C18H15N3S and a molecular weight of 305.41 g/mol. Its IUPAC name is 2-(3H-benzimidazol-5-yl)-5-(2-phenylethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(3H-benzimidazol-5-yl)-5-(2-phenylethyl)-1,3-thiazole
PubChem CID53379087
Molecular FormulaC18H15N3S
Molecular Weight305.41 g/mol
Exact Mass305.10
IUPAC Name2-(3H-benzimidazol-5-yl)-5-(2-phenylethyl)-1,3-thiazole
SMILESc1ccc(CCc2cnc(-c3ccc4nc[nH]c4c3)s2)cc1
InChIInChI=1S/C18H15N3S/c1-2-4-13(5-3-1)6-8-15-11-19-18(22-15)14-7-9-16-17(10-14)21-12-20-16/h1-5,7,9-12H,6,8H2,(H,20,21)
InChIKeyPTNJOPIMXYSYOQ-UHFFFAOYSA-N
XLogP4.47
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3H-benzimidazol-5-yl)-5-(2-phenylethyl)-1,3-thiazole?
The IUPAC name of 2-(3H-benzimidazol-5-yl)-5-(2-phenylethyl)-1,3-thiazole (CID 53379087) is 2-(3H-benzimidazol-5-yl)-5-(2-phenylethyl)-1,3-thiazole.
What is the SMILES notation for 2-(3H-benzimidazol-5-yl)-5-(2-phenylethyl)-1,3-thiazole?
The canonical SMILES for 2-(3H-benzimidazol-5-yl)-5-(2-phenylethyl)-1,3-thiazole is c1ccc(CCc2cnc(-c3ccc4nc[nH]c4c3)s2)cc1.
What is the InChIKey of 2-(3H-benzimidazol-5-yl)-5-(2-phenylethyl)-1,3-thiazole?
The InChIKey is PTNJOPIMXYSYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3S/c1-2-4-13(5-3-1)6-8-15-11-19-18(22-15)14-7-9-16-17(10-14)21-12-20-16/h1-5,7,9-12H,6,8H2,(H,20,21).
What are the key properties of 2-(3H-benzimidazol-5-yl)-5-(2-phenylethyl)-1,3-thiazole?
2-(3H-benzimidazol-5-yl)-5-(2-phenylethyl)-1,3-thiazole has a molecular weight of 305.41 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3H-benzimidazol-5-yl)-5-(2-phenylethyl)-1,3-thiazole is sourced from PubChem (CID 53379087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).